4-(2,4-Dichlorophenoxy)butyric acid

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  • Identifiers

    CAS number
    94-82-6

    Molecular formula
    C10H10Cl2O3

    SMILES
    C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 46.34%
    Sweet 30.99%
    Vanilla 29.89%
    Milky 25.52%
    Savory 25.32%
    Creamy 25.01%
    Powdery 24.8%
    Musk 24.4%
    Animal 24.09%
    Balsamic 22.16%

     

    Flavor
    Odorless 50.09%
    Mild 42.9%
    Sweet 33.9%
    Fruity 33.02%
    Bitter 29.87%
    Sour 24.14%
    Faint 22.85%
    Bland 22.8%
    Very mild 22.7%
    Powdery 22.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.26 (neutral)

    Molecular weight
    249.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Melting point expt.

    • 118-120 °C

    Flash point

    • 175.6 ˚C est.

    Solubility expt.

    • Water solubility: 46 ppm at 25 °C.
    • Readily soluble in acetone, ethanol, and diethyl ether. Slightly soluble in benzene, toluene, and kerosene.

  • Synonyms

    • 4-(2,4-Dichlorophenoxy)butanoic acid
    • 94-82-6
    • 2,4-DB
    • 2,4-dichlorophenoxybutyric acid
    • Butyrac
    • 4-(2,4-DICHLOROPHENOXY)BUTYRIC ACID
    • Legumex D
    • Butirex
    • Butyrac 118
    • Buratal
    • Butormone
    • Butoxon
    • Butoxone ester
    • Butyrac ester
    • Butyrac 200
    • Sys 67 Buratal
    • Embutox
    • Butoxone amine
    • gamma-(2,4-Dichlorophenoxy)butyric acid
    • 2,4-DM
    • Caswell No. 316
    • Butyric acid, 4-(2,4-dichlorophenoxy)-
    • 2,4-(Dichlorophenoxy)butyric acid
    • 4-(2,4-DB)
    • DTXSID7024035
    • SL314DW868
    • (2,4-Dichlorophenoxy)butyric acid
    • NSC-70337
    • gamma-(2,4-dichlorophenoxy)butanoic acid
    • gamma-(2,4-dichlorophenoxy)-butyric acid
    • gamma-(2,4-dichlorophenoxy)-butanoic acid
    • DTXCID304035
    • CHEBI:73173
    • Embutox E
    • RefChem:82232
    • 2,4 DM
    • 202-366-9
    • Embutone
    • Butoxone
    • 2,4-D butyric acid
    • Butanoic acid, 4-(2,4-dichlorophenoxy)-
    • NSC 70337
    • MFCD00002819
    • Kyselina 4-(2,4-dichlorfenoxy)maselna
    • NCGC00094532-06
    • .gamma.-(2,4-Dichlorophenoxy)butyric acid
    • CCRIS 1021
    • 2,4-DB [BSI:ISO]
    • HSDB 6603
    • EINECS 202-366-9
    • EPA Pesticide Chemical Code 030801
    • BRN 1976809
    • Venceweed
    • UNII-SL314DW868
    • Embutox klean-up
    • Kyselina 4-(2,4-dichlorfenoxy)maselna [Czech]
    • Embutox (Salt/Mix)
    • 2,4-D Butyric
    • Embutone (Salt/Mix)
    • Campbell's db straight
    • Spectrum_001855
    • 2,4-DB 100 microg/mL in Acetonitrile
    • Embutox E (Salt/Mix)
    • SpecPlus_000466
    • Spectrum2_001854
    • Spectrum3_000833
    • Spectrum4_000673
    • Spectrum5_001980
    • Dichlorophenoxy)butyric acid
    • WLN: QV3OR BG DG
    • BSPBio_002385
    • KBioGR_001105
    • KBioSS_002372
    • SPECTRUM330041
    • 4-06-00-00927 (Beilstein Handbook Reference)
    • MB 2878 (Salt/Mix)
    • MLS002207204
    • DivK1c_006562
    • SCHEMBL116448
    • 2,4-Dichlorophenoxybutyricacid
    • SPBio_001668
    • 2,4-DB [HSDB]
    • CHEMBL1892377
    • SCHEMBL29364868
    • KBio1_001506
    • KBio2_002368
    • KBio2_004936
    • KBio2_007504
    • KBio3_001885
    • Butyric acid,4-dichlorophenoxy)-
    • 2,4-DB [ISO]
    • Butanoic acid,4-dichlorophenoxy)-
    • 2,4-DB [MI]
    • AAA09482
    • BB_SC-07385
    • MSK22602
    • NSC70337
    • Tox21_400080
    • BBL015279
    • CCG-39392
    • GEO-04121
    • SBB003160
    • STK107020
    • 4-(2,4-Dichlorophenoxybutyric) acid
    • 4-[2.4-Dichlorophenoxy]butyric acid
    • 2,4-dichloro-4-phenoxy-butanoic acid
    • AKOS000104014
    • CAS-94-82-6
    • 4-(2,4-Dichloro-phenoxy)-butyric acid
    • NCGC00094532-01
    • NCGC00094532-02
    • NCGC00094532-03
    • NCGC00094532-04
    • NCGC00094532-05
    • NCGC00094532-07
    • SMR000777852
    • VS-04882
    • 2,4-DB, PESTANAL(R), analytical standard
    • NS00006429
    • ST50051678
    • EN300-18168
    • D96079
    • Q229887
    • 2,4-DB 200 microg/mL in Methyl-tert. butyl etherr
    • 2,4-DB, certified reference material, TraceCERT(R)
    • BRD-K69188402-001-04-2
    • Z57252704
    • 94-82-6

  • Applications

    4-(2,4-Dichlorophenoxy)butyric acid (CAS 94-82-6) is used primarily as an intermediate in the synthesis of phenoxy herbicides and related agrochemical intermediates. It serves as a building block to prepare ester and salt derivatives of phenoxyacids for agricultural use, including analogs of the 2,4-D-type herbicides. In industrial manufacturing, it is employed as a starting material for scale-up and formulation development of agrochemicals. It is also evaluated in synthetic organic chemistry as a versatile building block for further transformations to new herbicidal compounds. In research and development, it may be explored for discovery of novel phenoxyacid herbicides and structural analogs. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 360.58
    methanol 349.51
    isopropanol 192.59
    water 0.86
    ethyl acetate 249.08
    n-propanol 226.25
    acetone 577.0
    n-butanol 196.81
    acetonitrile 207.54
    DMF 729.97
    toluene 20.21
    isobutanol 126.99
    1,4-dioxane 538.35
    methyl acetate 314.76
    THF 884.15
    2-butanone 355.99
    n-pentanol 193.57
    sec-butanol 198.42
    n-hexane 3.1
    ethylene glycol 82.68
    NMP 278.76
    cyclohexane 2.88
    DMSO 694.35
    n-butyl acetate 181.4
    n-octanol 56.72
    chloroform 165.63
    n-propyl acetate 215.62
    acetic acid 310.81
    dichloromethane 208.92
    cyclohexanone 251.58
    propylene glycol 85.2
    isopropyl acetate 138.27
    DMAc 1054.49
    2-ethoxyethanol 620.91
    isopentanol 151.87
    n-heptane 5.17
    ethyl formate 167.76
    1,2-dichloroethane 140.4
    n-hexanol 100.67
    2-methoxyethanol 729.66
    isobutyl acetate 122.22
    tetrachloromethane 8.21
    n-pentyl acetate 92.29
    transcutol 1050.41
    n-heptanol 52.31
    ethylbenzene 28.96
    MIBK 134.71
    2-propoxyethanol 287.64
    tert-butanol 262.71
    MTBE 247.53
    2-butoxyethanol 153.06
    propionic acid 123.42
    o-xylene 25.63
    formic acid 164.54
    diethyl ether 192.4
    m-xylene 22.57
    p-xylene 41.47
    chlorobenzene 43.41
    dimethyl carbonate 133.34
    n-octane 2.81
    formamide 360.95
    cyclopentanone 306.39
    2-pentanone 253.16
    anisole 193.18
    cyclopentyl methyl ether 184.79
    gamma-butyrolactone 335.62
    1-methoxy-2-propanol 416.91
    pyridine 175.67
    3-pentanone 162.27
    furfural 340.06
    n-dodecane 3.4
    diethylene glycol 295.78
    diisopropyl ether 40.21
    tert-amyl alcohol 244.7
    acetylacetone 333.23
    n-hexadecane 3.82
    acetophenone 176.56
    methyl propionate 205.81
    isopentyl acetate 154.37
    trichloroethylene 290.81
    n-nonanol 55.04
    cyclohexanol 121.81
    benzyl alcohol 158.19
    2-ethylhexanol 67.44
    isooctanol 46.27
    dipropyl ether 96.94
    1,2-dichlorobenzene 53.19
    ethyl lactate 115.76
    propylene carbonate 187.08
    n-methylformamide 296.33
    2-pentanol 117.51
    n-pentane 2.27
    1-propoxy-2-propanol 190.92
    1-methoxy-2-propyl acetate 205.26
    2-(2-methoxypropoxy) propanol 214.51
    mesitylene 17.46
    ε-caprolactone 243.64
    p-cymene 28.35
    epichlorohydrin 462.95
    1,1,1-trichloroethane 78.07
    2-aminoethanol 168.21
    morpholine-4-carbaldehyde 587.57
    sulfolane 298.38
    2,2,4-trimethylpentane 4.71
    2-methyltetrahydrofuran 360.48
    n-hexyl acetate 108.97
    isooctane 2.92
    2-(2-butoxyethoxy)ethanol 282.34
    sec-butyl acetate 134.75
    tert-butyl acetate 168.72
    decalin 5.49
    glycerin 142.08
    diglyme 552.64
    acrylic acid 114.53
    isopropyl myristate 53.23
    n-butyric acid 164.7
    acetyl acetate 150.63
    di(2-ethylhexyl) phthalate 58.88
    ethyl propionate 160.71
    nitromethane 570.94
    1,2-diethoxyethane 305.63
    benzonitrile 116.96
    trioctyl phosphate 39.68
    1-bromopropane 65.31
    gamma-valerolactone 541.05
    n-decanol 44.1
    triethyl phosphate 79.93
    4-methyl-2-pentanol 65.04
    propionitrile 123.35
    vinylene carbonate 171.52
    1,1,2-trichlorotrifluoroethane 298.06
    DMS 133.33
    cumene 27.3
    2-octanol 41.7
    2-hexanone 225.35
    octyl acetate 68.92
    limonene 42.25
    1,2-dimethoxyethane 903.64
    ethyl orthosilicate 77.25
    tributyl phosphate 58.25
    diacetone alcohol 230.98
    N,N-dimethylaniline 131.9
    acrylonitrile 152.33
    aniline 75.42
    1,3-propanediol 255.43
    bromobenzene 34.9
    dibromomethane 104.56
    1,1,2,2-tetrachloroethane 208.77
    2-methyl-cyclohexyl acetate 111.3
    tetrabutyl urea 88.7
    diisobutyl methanol 43.98
    2-phenylethanol 117.5
    styrene 39.89
    dioctyl adipate 94.63
    dimethyl sulfate 200.21
    ethyl butyrate 150.36
    methyl lactate 125.05
    butyl lactate 96.45
    diethyl carbonate 111.73
    propanediol butyl ether 162.19
    triethyl orthoformate 112.53
    p-tert-butyltoluene 28.77
    methyl 4-tert-butylbenzoate 124.17
    morpholine 671.06
    tert-butylamine 112.01
    n-dodecanol 35.81
    dimethoxymethane 576.66
    ethylene carbonate 143.16
    cyrene 203.23
    2-ethoxyethyl acetate 183.45
    2-ethylhexyl acetate 115.14
    1,2,4-trichlorobenzene 73.75
    4-methylpyridine 172.43
    dibutyl ether 91.47
    2,6-dimethyl-4-heptanol 43.98
    DEF 318.11
    dimethyl isosorbide 303.91
    tetrachloroethylene 105.18
    eugenol 141.27
    triacetin 166.89
    span 80 136.99
    1,4-butanediol 148.07
    1,1-dichloroethane 109.26
    2-methyl-1-pentanol 162.13
    methyl formate 245.1
    2-methyl-1-butanol 152.02
    n-decane 5.07
    butyronitrile 139.14
    3,7-dimethyl-1-octanol 63.66
    1-chlorooctane 27.37
    1-chlorotetradecane 13.43
    n-nonane 4.24
    undecane 4.01
    tert-butylcyclohexane 5.85
    cyclooctane 1.46
    cyclopentanol 133.16
    tetrahydropyran 312.6
    tert-amyl methyl ether 190.51
    2,5,8-trioxanonane 403.12
    1-hexene 29.37
    2-isopropoxyethanol 333.45
    2,2,2-trifluoroethanol 117.85
    methyl butyrate 216.48

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction